SCHEMBL4296988

SCHEMBL4296988

CN(C)[C@@H]1CCN(c2ccc(N3CCc4cc(C(=O)O)ccc4C3=O)cc2F)C1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FPR1 P21462 2/20 0.47
FPR2 P25090 2/20 0.47
WDR5 P61964 3/20 0.39
MCHR1 Q99705 4/20 0.38
CHEK2 O96017 2/20 0.38
GAA P10253 2/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
NR4A1 P22736 1/20 0.36
HSD17B10 Q99714 1/20 0.36
BCAT2 O15382 1/20 0.36
MAOB P27338 3/20 0.35
MAOA P21397 2/20 0.35
AOC3 Q16853 1/20 0.34
LMNA P02545 1/20 0.34
PTGS1 P23219 1/20 0.34
CALML3 P27482 1/20 0.34
SDHA P31040 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4296992 1.00 FPR1 (0.47) FPR1FPR2WDR5MCHR1CHEK2
SCHEMBL4293141 0.91 FPR1 (0.48) FPR1FPR2WDR5MCHR1KDM4E
SCHEMBL4293146 0.91 FPR1 (0.48) FPR1FPR2WDR5MCHR1KDM4E
SCHEMBL13659216 0.90 FPR1 (0.47) FPR1FPR2WDR5MCHR1
SCHEMBL13659218 0.89 FPR1 (0.49) FPR1FPR2WDR5MCHR1GAA
SCHEMBL13659219 0.89 FPR1 (0.49) FPR1FPR2WDR5MCHR1
SCHEMBL13659196 0.89 FPR1 (0.46) FPR1FPR2WDR5MCHR1POLB
SCHEMBL13659217 0.89 FPR1 (0.46) FPR1FPR2MCHR1
SCHEMBL13659220 0.89 MCHR1 (0.51) FPR1FPR2WDR5MCHR1
SCHEMBL4287520 0.88 FPR1 (0.49) FPR1FPR2WDR5CHEK2MAOB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8822495-B2 Azacyclyl-substituted aryldihydroisoquinolinones, process for their preparation and their use as medicaments SANOFI (FR) 2014-09-02 US disclosed
EP-1987020-B1 AZACYCLYL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI SA (FR) 2012-10-03 EP disclosed
US-20090264403-A1 NOVEL AZACYCLYL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2009-10-22 US disclosed
EP-1987020-A1 AZACYCLYL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS Sanofi-Aventis (FR) 2008-11-05 EP disclosed
WO-2007093364-A1 AZACYCLYL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI-AVENTIS (DE) 2007-08-23 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090264403-A1 NOVEL AZACYCLYL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS MCHR1, MRGPRX1, MRGPRX4 FPR1 626/4885FPR2 534/4885WDR5 2154/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.